pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate

C13H18N2O7 — CID 118561886

IUPACpyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O.NC(=O)c1cccnc1
InChIInChI=1S/C7H12O6.C6H6N2O/c1-3(8)12-2-4-5(9)6(10)7(11)13-4;7-6(9)5-2-1-3-8-4-5/h4-7,9-11H,2H2,1H3;1-4H,(H2,7,9)/t4-,5-,6-,7?;/m1./s1
InChIKeyCCBYVNHGEPOQCC-ILSJRFRISA-N
MW314.29 g/mol
LogP-1.83
Rot. Bonds3

About pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate

pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate (PubChem CID 118561886) has the molecular formula C13H18N2O7 and a molecular weight of 314.29 g/mol. Its IUPAC name is pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Namepyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate
PubChem CID118561886
Molecular FormulaC13H18N2O7
Molecular Weight314.29 g/mol
Exact Mass314.11
IUPAC Namepyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O.NC(=O)c1cccnc1
InChIInChI=1S/C7H12O6.C6H6N2O/c1-3(8)12-2-4-5(9)6(10)7(11)13-4;7-6(9)5-2-1-3-8-4-5/h4-7,9-11H,2H2,1H3;1-4H,(H2,7,9)/t4-,5-,6-,7?;/m1./s1
InChIKeyCCBYVNHGEPOQCC-ILSJRFRISA-N
XLogP-1.83
TPSA152.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

acetic acid;(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;pyridine-3-carboxamide;hydrochloride
CID 174057949
[(2R,3S,4R,5R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl pyridine-3-carboxylate
CID 152756049
ethyl pyridine-3-carboxylate;(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 66705749
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl pyridine-3-carboxylate
CID 170219609
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
benzene;pyridine-3-carboxamide
CID 66766032
[(2R,3R,4R)-4,5-diacetyloxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate;pyridine-3-carboxamide
CID 175227414
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
oxalic acid;pyridine-3-carboxamide
CID 69110411
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CID 70159642
butanedioic acid;pyridine-3-carboxamide
CID 159465776

Frequently Asked Questions

What is the IUPAC name of pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate?
The IUPAC name of pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate (CID 118561886) is pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate?
The canonical SMILES for pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O.NC(=O)c1cccnc1.
What is the InChIKey of pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate?
The InChIKey is CCBYVNHGEPOQCC-ILSJRFRISA-N. The full InChI is InChI=1S/C7H12O6.C6H6N2O/c1-3(8)12-2-4-5(9)6(10)7(11)13-4;7-6(9)5-2-1-3-8-4-5/h4-7,9-11H,2H2,1H3;1-4H,(H2,7,9)/t4-,5-,6-,7?;/m1./s1.
What are the key properties of pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate?
pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate has a molecular weight of 314.29 g/mol, XLogP of -1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carboxamide;[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 118561886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).